Subject: Amber parameters and charges

From: Pirard Bernard B <[email-masked]>
Date: Fri, 20 Jun 1997 11:49:25 +0100

I hope that this message will be readable

Dear colleagues,
I am currently testing several forcefields for minimization of drug-like 
molecules.
These forcefields are CVFF, CFF91, TRIPOS and AMBER as implemented in
SYBYL 6.3. For all the molecules under study, AMBER parameters or charges
are missing.So can you tell me whether there is any library of AMBER 
parameters
and charges ? At this point, I can mention that several groups have recently 
published AMBER parameters for some cofactors. In addition, use of the AMBER 
forcefield
in ligand docking studies has been documented, see  for instance the 
abstracts of the Molecular Graphics Society Meeting held in York (September 
1996) but with no details on parameters anc charges.
Thanking you in advance for the attention you will pay to this query. I will 
send a
summary of the replies,
Sincerely,

Bernard Pirard
Computational Chemistry Group
Zeneca Agrochemicals
Jealott s Hill
[email-masked]